[dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate

C10H20O4S2Sn — CID 139617493

IUPAC[dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate
SMILESCC(CS)C(=O)O[Sn](C)(C)OC(=O)C(C)CS
InChIInChI=1S/2C4H8O2S.2CH3.Sn/c2*1-3(2-7)4(5)6;;;/h2*3,7H,2H2,1H3,(H,5,6);2*1H3;/q;;;;+2/p-2
InChIKeyJPLYYEIOHUCWPI-UHFFFAOYSA-L
MW387.11 g/mol
LogP1.91
Rot. Bonds6

About [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate

[dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate (PubChem CID 139617493) has the molecular formula C10H20O4S2Sn and a molecular weight of 387.11 g/mol. Its IUPAC name is [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate.

Molecular Properties

Compound Name[dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate
PubChem CID139617493
Molecular FormulaC10H20O4S2Sn
Molecular Weight387.11 g/mol
Exact Mass387.98
IUPAC Name[dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate
SMILESCC(CS)C(=O)O[Sn](C)(C)OC(=O)C(C)CS
InChIInChI=1S/2C4H8O2S.2CH3.Sn/c2*1-3(2-7)4(5)6;;;/h2*3,7H,2H2,1H3,(H,5,6);2*1H3;/q;;;;+2/p-2
InChIKeyJPLYYEIOHUCWPI-UHFFFAOYSA-L
XLogP1.91
TPSA52.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.11
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-methyl-3-sulfanylpropanoate
CID 22860483
1-(2-methyl-3-sulfanylpropanoyl)oxypropyl 2-methyl-3-sulfanylpropanoate
CID 141087939
2-methyl-3-sulfanylpropanoyl fluoride
CID 163866917
(2S)-3-cyano-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxypropanoic acid
CID 18655200
N,2-dimethyl-3-sulfanylpropanamide
CID 13075016
methyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-sulfanylpropanoate
CID 91978262
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
(2S)-N-methyl-2-(methylamino)-3-sulfanylpropanamide
CID 88724377
2-[3-[2-[bis[2-[bis[3-[2-(2-methyl-3-methylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]ethyl]amino]ethyl-[3-[2-(2-methyl-3-methylsulfanylpropanoyl)oxyethoxy]-3-oxopropyl]amino]propanoyloxy]ethyl 2-methyl-3-sulfanylpropanoate
CID 174345823
N-(1-amino-1-oxopropan-2-yl)-2-methyl-3-sulfanylpropanamide
CID 176992458
ethyl (2S)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
CID 87974217
2-[(2-amino-3-hydroxybutanoyl)amino]-3-sulfanylpropanoic acid
CID 18218245

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate?
The IUPAC name of [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate (CID 139617493) is [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate.
What is the SMILES notation for [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate?
The canonical SMILES for [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate is CC(CS)C(=O)O[Sn](C)(C)OC(=O)C(C)CS.
What is the InChIKey of [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate?
The InChIKey is JPLYYEIOHUCWPI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H8O2S.2CH3.Sn/c2*1-3(2-7)4(5)6;;;/h2*3,7H,2H2,1H3,(H,5,6);2*1H3;/q;;;;+2/p-2.
What are the key properties of [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate?
[dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate has a molecular weight of 387.11 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(2-methyl-3-sulfanylpropanoyl)oxystannyl] 2-methyl-3-sulfanylpropanoate is sourced from PubChem (CID 139617493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).